N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N'-(3-nitrophenyl)urea
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N'-(3-nitrophenyl)urea
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N'-(3-nitrophenyl)urea
Compound characteristics
| Compound ID: | Y205-1461 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-N'-(3-nitrophenyl)urea |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C16 H15 N3 O5 |
| Smiles: | CC(c1ccc2c(c1)OCO2)NC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3951 |
| logD: | 3.3951 |
| logSw: | -3.7479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.524 |
| InChI Key: | QFDJHMRGTXLXBN-JTQLQIEISA-N |